MassBank Record: JP003163



 CODEINE; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003163
RECORD_TITLE: CODEINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIZUMI H, FAC. OF PHARMACY, MEIJO UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CODEINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H21NO3 CH$EXACT_MASS: 299.15214 CH$SMILES: CN(C5)C(C3)C([H])(C=4)C(C5)(C(C(O)C4)1)c(c23)c(c(O)cc(C)2)O1 CH$IUPAC: InChI=1S/C18H21NO3/c1-9-7-14(21)16-15-10(9)8-12-11-3-4-13(20)17(22-16)18(11,15)5-6-19(12)2/h3-4,7,11-13,17,20-21H,5-6,8H2,1-2H3/t11-,12?,13-,17-,18-/m0/s1
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-001i-0091000000-f73e21d3c945e1bbbe0d PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 257 3 30 281 6 60 282 99.99 999 283 21 210 284 4 40 298 7 70 299 5 50 300 18 180 301 4 40 //